Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7495039 | 0.95 | TACR2 (0.44) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7496029 | 0.90 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27478684 | 0.89 | TACR2 (0.42) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27478683 | 0.89 | TACR2 (0.42) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7495025 | 0.88 | TACR2 (0.44) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7501302 | 0.87 | TACR2 (0.39) | TACR2TACR1LMNA | |
| SCHEMBL27462564 | 0.87 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27462563 | 0.87 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7493261 | 0.83 | TACR2 (0.40) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7501296 | 0.82 | TACR2 (0.38) | TACR2TACR1CYP3A4CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| EP-0776893-B1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO CO (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-6159967-A | Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use | SANKYO COMPANY, LIMITED (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0776893-A1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO COMPANY LIMITED (JP) | 1997-06-04 | — | — | EP | disclosed |